SCHEMBL835229

SCHEMBL835229

Cc1cc2c(Sc3ccc(F)cc3)cc(=O)n(C)c2cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RHEB Q15382 2/20 0.40
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ATM Q13315 1/20 0.38
CYP19A1 P11511 1/20 0.38
TP53 P04637 1/20 0.36
HTR1A P08908 2/20 0.35
HTR3A P46098 2/20 0.35
PKM P14618 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
BRD4 O60885 1/20 0.35
KAT2B Q92831 1/20 0.35
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL835232 0.89 KDM4E (0.44) NQO2KDM4ERHEBPOLBRXFP1
SCHEMBL835023 0.86 KDM4E (0.42) NQO2KDM4ERHEBRXFP1KAT2B
SCHEMBL835002 0.86 RXFP1 (0.45) NQO2KDM4ERHEBPOLBRXFP1
SCHEMBL835284 0.85 RXFP1 (0.43) NQO2KDM4ERHEBPOLBRXFP1
SCHEMBL836028 0.83 KDM4E (0.51) NQO2KDM4EPOLBRXFP1ATM
SCHEMBL835001 0.82 RXFP1 (0.44) NQO2KDM4ERHEBPOLBRXFP1
SCHEMBL835197 0.78 RXFP1 (0.49) KDM4ERHEBRXFP1ATMTP53
SCHEMBL836066 0.75 RXFP1 (0.48) NQO2KDM4ERHEBPOLBRXFP1
SCHEMBL830005 0.73 AHR (0.42) KDM4EPOLBTP53KAT2BLMNA
SCHEMBL14300144 0.72 RXFP1 (0.58) NQO2KDM4EPOLBRXFP1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-8143276-B2 4-thio substituted quinoline and naphthyridine compounds XTL BIOPHARMACEUTICALS LTD. (IL) 2012-03-27 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds PRESIDIO PHARMACEUTICALS, INC. 2009-02-26 US disclosed
WO-2008024423-A2 4-THIO SUBSTITUTED QUINOLINE AND NAPHTHYRIDINE COMPOUNDS XTL BIOPHARMACEUTICALS LTD. (US) 2008-02-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054477-A1 4-thio substituted quinoline and naphthyridine compounds GTF3C4, HNF4A, TENT4A NQO2 20/4885KDM4E 1265/4885RHEB 2734/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.